(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

C38H45ClN2O6 — CID 44584677

About (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 44584677) has the molecular formula C38H45ClN2O6 and a molecular weight of 661.24 g/mol. Its IUPAC name is (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

• Compound Name: (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
• PubChem CID: 44584677
• Molecular Formula: C38H45ClN2O6
• Molecular Weight: 661.24 g/mol
• Exact Mass: 660.30
• IUPAC Name: (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
• SMILES: COc1cc2c(cc1OC)[C@@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4NCCc5cc(OC)c(OC)cc54)cc3)c1)N(C)CC2.Cl
• InChI: InChI=1S/C38H44N2O6.ClH/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-9-12-33(41-2)38(19-25)46-28-10-7-24(8-11-28)17-31-29-22-36(44-5)34(42-3)20-26(29)13-15-39-31;/h7-12,19-23,31-32,39H,13-18H2,1-6H3;1H/t31-,32-;/m1./s1
• InChIKey: GOMTZJBNZXTRQH-JOVGIXRXSA-N
• XLogP: 7.14
• TPSA: 70.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.24
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?

The IUPAC name of (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 44584677) is (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

What is the SMILES notation for (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?

The canonical SMILES for (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is COc1cc2c(cc1OC)[C@@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4NCCc5cc(OC)c(OC)cc54)cc3)c1)N(C)CC2.Cl.

What is the InChIKey of (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?

The InChIKey is GOMTZJBNZXTRQH-JOVGIXRXSA-N. The full InChI is InChI=1S/C38H44N2O6.ClH/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-9-12-33(41-2)38(19-25)46-28-10-7-24(8-11-28)17-31-29-22-36(44-5)34(42-3)20-26(29)13-15-39-31;/h7-12,19-23,31-32,39H,13-18H2,1-6H3;1H/t31-,32-;/m1./s1.

What are the key properties of (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?

(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 661.24 g/mol, XLogP of 7.14, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 44584677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).